8-bromo-2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinoline

C15H13BrFN — CID 132589758

IUPAC8-bromo-2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinoline
SMILESFc1ccc(C2CCc3cccc(Br)c3N2)cc1
InChIInChI=1S/C15H13BrFN/c16-13-3-1-2-11-6-9-14(18-15(11)13)10-4-7-12(17)8-5-10/h1-5,7-8,14,18H,6,9H2
InChIKeyWPNFKISMPVKHAP-UHFFFAOYSA-N
MW306.18 g/mol
LogP4.69
Rot. Bonds1

About 8-bromo-2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinoline

8-bromo-2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 132589758) has the molecular formula C15H13BrFN and a molecular weight of 306.18 g/mol. Its IUPAC name is 8-bromo-2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-bromo-2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinoline
PubChem CID132589758
Molecular FormulaC15H13BrFN
Molecular Weight306.18 g/mol
Exact Mass305.02
IUPAC Name8-bromo-2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinoline
SMILESFc1ccc(C2CCc3cccc(Br)c3N2)cc1
InChIInChI=1S/C15H13BrFN/c16-13-3-1-2-11-6-9-14(18-15(11)13)10-4-7-12(17)8-5-10/h1-5,7-8,14,18H,6,9H2
InChIKeyWPNFKISMPVKHAP-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.18
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-bromo-2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinoline (CID 132589758) is 8-bromo-2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-bromo-2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-bromo-2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinoline is Fc1ccc(C2CCc3cccc(Br)c3N2)cc1.
What is the InChIKey of 8-bromo-2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is WPNFKISMPVKHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFN/c16-13-3-1-2-11-6-9-14(18-15(11)13)10-4-7-12(17)8-5-10/h1-5,7-8,14,18H,6,9H2.
What are the key properties of 8-bromo-2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinoline?
8-bromo-2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 306.18 g/mol, XLogP of 4.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 132589758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).